SCHEMBL15329032

SCHEMBL15329032

CC[CH]N(C(C)CCCCCCCCCCC)C(C)CCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
ACE2 Q9BYF1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL314509 0.78 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28009314 0.78 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL276686 0.78 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL277272 0.76 TSHR (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL372446 0.74 OPRM1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL372503 0.74 OPRM1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL372363 0.74 OPRM1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL372660 0.74 OPRM1 (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1024279 0.72 OPRM1 (0.46) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9475459 0.72 OPRM1 (0.46) OPRM1SPHK1LMNADNM1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130280178-A1 PROPELLANT-CONTAINING HAIR STYLING COMPOSITION HENKEL AG & CO. KGAA (DE) 2013-10-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130280178-A1 PROPELLANT-CONTAINING HAIR STYLING COMPOSITION POLR1C, PIK3C3, ETF1 ADH1B 4065/4885ADH1C 1655/4885ADH1A 2541/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.